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Details

Stereochemistry RACEMIC
Molecular Formula C4H10S
Molecular Weight 90.187
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-BUTANETHIOL

SMILES

CCC(C)S

InChI

InChIKey=LOCHFZBWPCLPAN-UHFFFAOYSA-N
InChI=1S/C4H10S/c1-3-4(2)5/h4-5H,3H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C4H10S
Molecular Weight 90.187
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

PubMed

PubMed

TitleDatePubMed
Investigation of the storage stability of selected volatile sulfur compounds in different sampling containers.
2001 May 11
Novel modified adenosine 5'-triphosphate analogues pharmacologically characterized in human embryonic kidney 293 cells highly expressing rat brain P2Y(1) receptor: Biotinylated analogue potentially suitable for specific P2Y(1) receptor isolation.
2001 May 15
Transferable potentials for phase equilibria. 8. United-atom description for thiols, sulfides, disulfides, and thiophene.
2005 Dec 22
N-thiolated beta-lactams: a new family of anti-Bacillus agents.
2006 Apr 15
A Phase I pharmacokinetic and pharmacodynamic study of PX-12, a novel inhibitor of thioredoxin-1, in patients with advanced solid tumors.
2007 Apr 1
Evaluation of 13-week inhalation toxicity of sec-butanethiol in rats.
2009 Sep
Fluorescent labeling of human albumin using the new aromatic dialdehyde labels and the study of innerfilter effect.
2010 Oct
Patents
Substance Class Chemical
Created
by admin
on Sat Dec 16 08:57:18 GMT 2023
Edited
by admin
on Sat Dec 16 08:57:18 GMT 2023
Record UNII
Y2D731QBYN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-BUTANETHIOL
Systematic Name English
2-BUTYLMERCAPTAN
Systematic Name English
3-METHYL-2-PROPANETHIOL
Systematic Name English
NSC-78417
Code English
BUTANE-2-THIOL
Systematic Name English
2-MERCAPTOBUTANE
Systematic Name English
SEC-BUTYL THIOL
Systematic Name English
SEC-BUTYL MERCAPTAN [HSDB]
Common Name English
SEC-BUTYL THIOALCOHOL
Systematic Name English
2-BUTANETHIOL, (±)-
Systematic Name English
2-BUTYL MERCAPTAN
Systematic Name English
SEC-BUTANETHIOL
Systematic Name English
SEC-BUTYL MERCAPTAN [MI]
Common Name English
1-METHYL-1-PROPANETHIOL
Systematic Name English
SECONDARY BUTYLMERCAPTAN
Common Name English
Code System Code Type Description
CAS
513-53-1
Created by admin on Sat Dec 16 08:57:18 GMT 2023 , Edited by admin on Sat Dec 16 08:57:18 GMT 2023
PRIMARY
HSDB
1610
Created by admin on Sat Dec 16 08:57:18 GMT 2023 , Edited by admin on Sat Dec 16 08:57:18 GMT 2023
PRIMARY
FDA UNII
Y2D731QBYN
Created by admin on Sat Dec 16 08:57:18 GMT 2023 , Edited by admin on Sat Dec 16 08:57:18 GMT 2023
PRIMARY
EPA CompTox
DTXSID1041396
Created by admin on Sat Dec 16 08:57:18 GMT 2023 , Edited by admin on Sat Dec 16 08:57:18 GMT 2023
PRIMARY
ECHA (EC/EINECS)
208-165-2
Created by admin on Sat Dec 16 08:57:18 GMT 2023 , Edited by admin on Sat Dec 16 08:57:18 GMT 2023
PRIMARY
NSC
78417
Created by admin on Sat Dec 16 08:57:18 GMT 2023 , Edited by admin on Sat Dec 16 08:57:18 GMT 2023
PRIMARY
PUBCHEM
10560
Created by admin on Sat Dec 16 08:57:18 GMT 2023 , Edited by admin on Sat Dec 16 08:57:18 GMT 2023
PRIMARY
MERCK INDEX
m2851
Created by admin on Sat Dec 16 08:57:18 GMT 2023 , Edited by admin on Sat Dec 16 08:57:18 GMT 2023
PRIMARY Merck Index